204 |
|
#endif |
205 |
|
errorMsg << "SMILES Conversion failed: Molecule is too large to convert. Open Babel is currently limited to 1000 atoms." << endl; |
206 |
|
errorMsg << " Molecule size: " << mol.NumAtoms() << " atoms " << endl; |
207 |
< |
obErrorLog.ThrowError(__FUNCTION__, errorMsg.str(), obWarning); |
207 |
> |
obErrorLog.ThrowError(__func__, errorMsg.str(), obWarning); |
208 |
|
return(false); |
209 |
|
} |
210 |
|
|
2049 |
|
case 7: |
2050 |
|
if (atom->IsAromatic() && atom->GetHvyValence() == 2 && atom->GetImplicitValence() == 3) |
2051 |
|
{ |
2052 |
< |
bracketElement = !(normalValence = false); |
2052 |
> |
normalValence = false; |
2053 |
> |
bracketElement = !(normalValence); |
2054 |
|
break; |
2055 |
|
} |
2056 |
|
else |
2462 |
|
#endif |
2463 |
|
errorMsg << "SMILES Conversion failed: Molecule is too large to convert. Open Babel is currently limited to 1000 atoms." << endl; |
2464 |
|
errorMsg << " Molecule size: " << mol.NumAtoms() << " atoms " << endl; |
2465 |
< |
obErrorLog.ThrowError(__FUNCTION__, errorMsg.str(), obInfo); |
2465 |
> |
obErrorLog.ThrowError(__func__, errorMsg.str(), obInfo); |
2466 |
|
return(false); |
2467 |
|
} |
2468 |
|
|